9-(cyclopent-3-ene-1-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-1-one

C18H28N2O3 — CID 98897214

IUPAC9-(cyclopent-3-ene-1-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-1-one
SMILESCOCCN1CCCC2(CCN(C(=O)C3CC=CC3)CC2)C1=O
InChIInChI=1S/C18H28N2O3/c1-23-14-13-20-10-4-7-18(17(20)22)8-11-19(12-9-18)16(21)15-5-2-3-6-15/h2-3,15H,4-14H2,1H3
InChIKeyOEKVZXIMZFNGTM-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.83
Rot. Bonds4

About 9-(cyclopent-3-ene-1-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-1-one

9-(cyclopent-3-ene-1-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 98897214) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 9-(cyclopent-3-ene-1-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name9-(cyclopent-3-ene-1-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID98897214
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name9-(cyclopent-3-ene-1-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-1-one
SMILESCOCCN1CCCC2(CCN(C(=O)C3CC=CC3)CC2)C1=O
InChIInChI=1S/C18H28N2O3/c1-23-14-13-20-10-4-7-18(17(20)22)8-11-19(12-9-18)16(21)15-5-2-3-6-15/h2-3,15H,4-14H2,1H3
InChIKeyOEKVZXIMZFNGTM-UHFFFAOYSA-N
XLogP1.83
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-(cyclopent-3-ene-1-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 9-(cyclopent-3-ene-1-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-1-one (CID 98897214) is 9-(cyclopent-3-ene-1-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 9-(cyclopent-3-ene-1-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 9-(cyclopent-3-ene-1-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-1-one is COCCN1CCCC2(CCN(C(=O)C3CC=CC3)CC2)C1=O.
What is the InChIKey of 9-(cyclopent-3-ene-1-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is OEKVZXIMZFNGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-23-14-13-20-10-4-7-18(17(20)22)8-11-19(12-9-18)16(21)15-5-2-3-6-15/h2-3,15H,4-14H2,1H3.
What are the key properties of 9-(cyclopent-3-ene-1-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-1-one?
9-(cyclopent-3-ene-1-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 320.43 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopent-3-ene-1-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 98897214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).